1-[[(3R)-3-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]piperidin-1-yl]methyl]cyclopropan-1-ol

C14H23N5O — CID 176918053

IUPAC1-[[(3R)-3-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]piperidin-1-yl]methyl]cyclopropan-1-ol
SMILESCc1nnc(N[C@@H]2CCCN(CC3(O)CC3)C2)nc1C
InChIInChI=1S/C14H23N5O/c1-10-11(2)17-18-13(15-10)16-12-4-3-7-19(8-12)9-14(20)5-6-14/h12,20H,3-9H2,1-2H3,(H,15,16,18)/t12-/m1/s1
InChIKeyGJOZWTMNMBJKRJ-GFCCVEGCSA-N
MW277.37 g/mol
LogP0.89
Rot. Bonds4

About 1-[[(3R)-3-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]piperidin-1-yl]methyl]cyclopropan-1-ol

1-[[(3R)-3-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]piperidin-1-yl]methyl]cyclopropan-1-ol (PubChem CID 176918053) has the molecular formula C14H23N5O and a molecular weight of 277.37 g/mol. Its IUPAC name is 1-[[(3R)-3-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]piperidin-1-yl]methyl]cyclopropan-1-ol.

Molecular Properties

Compound Name1-[[(3R)-3-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]piperidin-1-yl]methyl]cyclopropan-1-ol
PubChem CID176918053
Molecular FormulaC14H23N5O
Molecular Weight277.37 g/mol
Exact Mass277.19
IUPAC Name1-[[(3R)-3-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]piperidin-1-yl]methyl]cyclopropan-1-ol
SMILESCc1nnc(N[C@@H]2CCCN(CC3(O)CC3)C2)nc1C
InChIInChI=1S/C14H23N5O/c1-10-11(2)17-18-13(15-10)16-12-4-3-7-19(8-12)9-14(20)5-6-14/h12,20H,3-9H2,1-2H3,(H,15,16,18)/t12-/m1/s1
InChIKeyGJOZWTMNMBJKRJ-GFCCVEGCSA-N
XLogP0.89
TPSA74.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[[(3R)-3-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]piperidin-1-yl]methyl]cyclopropan-1-ol?
The IUPAC name of 1-[[(3R)-3-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]piperidin-1-yl]methyl]cyclopropan-1-ol (CID 176918053) is 1-[[(3R)-3-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]piperidin-1-yl]methyl]cyclopropan-1-ol.
What is the SMILES notation for 1-[[(3R)-3-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]piperidin-1-yl]methyl]cyclopropan-1-ol?
The canonical SMILES for 1-[[(3R)-3-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]piperidin-1-yl]methyl]cyclopropan-1-ol is Cc1nnc(N[C@@H]2CCCN(CC3(O)CC3)C2)nc1C.
What is the InChIKey of 1-[[(3R)-3-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]piperidin-1-yl]methyl]cyclopropan-1-ol?
The InChIKey is GJOZWTMNMBJKRJ-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H23N5O/c1-10-11(2)17-18-13(15-10)16-12-4-3-7-19(8-12)9-14(20)5-6-14/h12,20H,3-9H2,1-2H3,(H,15,16,18)/t12-/m1/s1.
What are the key properties of 1-[[(3R)-3-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]piperidin-1-yl]methyl]cyclopropan-1-ol?
1-[[(3R)-3-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]piperidin-1-yl]methyl]cyclopropan-1-ol has a molecular weight of 277.37 g/mol, XLogP of 0.89, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(3R)-3-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]piperidin-1-yl]methyl]cyclopropan-1-ol is sourced from PubChem (CID 176918053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).